4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide

C20H21ClN4O2 — CID 47485656

IUPAC4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
SMILESCC(C)c1noc(C(C)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H21ClN4O2/c1-12(2)18-24-20(27-25-18)13(3)22-16-8-10-17(11-9-16)23-19(26)14-4-6-15(21)7-5-14/h4-13,22H,1-3H3,(H,23,26)
InChIKeyIEGYIBVKXUNDDQ-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.27
Rot. Bonds6

About 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide

4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide (PubChem CID 47485656) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
PubChem CID47485656
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
SMILESCC(C)c1noc(C(C)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H21ClN4O2/c1-12(2)18-24-20(27-25-18)13(3)22-16-8-10-17(11-9-16)23-19(26)14-4-6-15(21)7-5-14/h4-13,22H,1-3H3,(H,23,26)
InChIKeyIEGYIBVKXUNDDQ-UHFFFAOYSA-N
XLogP5.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide
CID 60583020
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
CID 60582852
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284461
N-[2-methyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284466
4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34273923
4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 86886639
(2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 29001948
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide (CID 47485656) is 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide is CC(C)c1noc(C(C)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide?
The InChIKey is IEGYIBVKXUNDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12(2)18-24-20(27-25-18)13(3)22-16-8-10-17(11-9-16)23-19(26)14-4-6-15(21)7-5-14/h4-13,22H,1-3H3,(H,23,26).
What are the key properties of 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide?
4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide has a molecular weight of 384.87 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide is sourced from PubChem (CID 47485656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).